AE31612
1060795-14-3 | Methyl 5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE31612
ChemicalName
Methyl 5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylate
CasNumber
1060795-14-3
MolecularFormula
C7H7BrN2O4S
MolecularWeight
295.1105
MdlNumber
MFCD11100780
Smiles
COC(=O)c1nc(ncc1Br)S(=O)(=O)C
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AE31612
ChemicalName: Methyl 5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylate
CasNumber: 1060795-14-3
MolecularFormula: C7H7BrN2O4S
MolecularWeight: 295.1105
MdlNumber: MFCD11100780
Smiles: COC(=O)c1nc(ncc1Br)S(=O)(=O)C
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AE31612
ChemicalName:
Methyl 5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylate
CasNumber:
1060795-14-3
MolecularFormula:
C7H7BrN2O4S
MolecularWeight:
295.1105
MdlNumber:
MFCD11100780
Smiles:
COC(=O)c1nc(ncc1Br)S(=O)(=O)C
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
0.7
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Smiles: Cc1nc(Cl)c2c(n1)cn[nH]2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
Cc1nc(Cl)c2c(n1)cn[nH]2
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: OC(=O)c1ccc2c(c1Cl)[nH]cc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1ccc2c(c1Cl)[nH]cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CN(C/C=C/C(=O)Cl)C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CN(C/C=C/C(=O)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__